pentan-2-yl 4-ethyl-2,6-dimethyl-2-[methyl-(phenylmethyl)amino]-4-(3-nitrophenyl)-1-pentan-2-yloxy-5-phosphoroso-3H-pyridine-3-carboperoxoate

Systemtic Name: pentan-2-yl 4-ethyl-2,6-dimethyl-2-[methyl-(phenylmethyl)amino]-4-(3-nitrophenyl)-1-pentan-2-yloxy-5-phosphoroso-3H-pyridine-3-carboperoxoate Openeye Name: 1-methylbutyl 2-[benzyl(methyl)amino]-4-ethyl-2,6-dimethyl-1-(1-methylbutoxy)-4-(3-nitrophenyl)-5-phosphoroso-3H-pyridine-3-carboperoxoate CAS Name: 4-ethyl-2,6-dimethyl-2-[methyl-(phenylmethyl)amino]-4-(3-nitrophenyl)-1-pentan-2-yloxy-5-phosphoroso-3H-pyridine-3-carboperoxoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2-[benzyl(methyl)amino]-4-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-1-pentan-2-yloxy-5-phosphoroso-3H-pyridine-3-carboperoxoate Traditional Name: 2-[benzyl(methyl)amino]-4-ethyl-2,6-dimethyl-1-(1-methylbutoxy)-4-(3-nitrophenyl)-5-phosphoroso-3H-pyridine-3-carboperoxoic acid 1-methylbutyl ester Formula: C34H48N3O7P MolecularWeight: 641.734581

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)ON1C(=C(C(C(C1(C)N(C)CC2=CC=CC=C2)C(=O)OOC(C)CCC)(CC)C3=CC(=CC=C3)[N+](=O)[O-])P=O)C

Isomeric SMILES

CCCC(C)ON1C(=C(C(C(C1(C)N(C)CC2=CC=CC=C2)C(=O)OOC(C)CCC)(CC)C3=CC(=CC=C3)[N+](=O)[O-])P=O)C

InChI

InChI=1S/C34H48N3O7P/c1-9-16-24(4)42-36-26(6)31(45-41)34(11-3,28-20-15-21-29(22-28)37(39)40)30(32(38)44-43-25(5)17-10-2)33(36,7)35(8)23-27-18-13-12-14-19-27/h12-15,18-22,24-25,30H,9-11,16-17,23H2,1-8H3