(phenylmethyl) 4-methyl-2-[(3-nitro-5-pyrrol-1-yl-phenyl)amino]pentanoate

Systemtic Name: (phenylmethyl) 4-methyl-2-[(3-nitro-5-pyrrol-1-yl-phenyl)amino]pentanoate Openeye Name: benzyl 4-methyl-2-(3-nitro-5-pyrrol-1-yl-anilino)pentanoate CAS Name: 4-methyl-2-[3-nitro-5-(1-pyrrolyl)anilino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-(3-nitro-5-pyrrol-1-ylanilino)pentanoate Traditional Name: 4-methyl-2-(3-nitro-5-pyrrol-1-yl-anilino)valeric acid benzyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC2=CC(=CC(=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC2=CC(=CC(=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-17(2)12-22(23(27)30-16-18-8-4-3-5-9-18)24-19-13-20(25-10-6-7-11-25)15-21(14-19)26(28)29/h3-11,13-15,17,22,24H,12,16H2,1-2H3