ethyl 4-methyl-2-[(3-nitrophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[(3-nitrophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate Openeye Name: ethyl 4-methyl-2-[(3-nitrophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate CAS Name: 4-methyl-2-[(3-nitrophenyl)methyl-(4-nitrophenyl)sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-nitrophenyl)methyl-(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[(3-nitrobenzyl)-nosyl-amino]valeric acid ethyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-4-32-21(25)20(12-15(2)3)22(14-16-6-5-7-18(13-16)24(28)29)33(30,31)19-10-8-17(9-11-19)23(26)27/h5-11,13,15,20H,4,12,14H2,1-3H3