(3S)-3-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: (3S)-3-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: (3S)-3-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3S)-3-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoate IUPAC Name: (3S)-3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionate Formula: C16H16N3O5- MolecularWeight: 330.31534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-10-3-5-11(6-4-10)13(8-15(20)21)17-16(22)14-7-12(19(23)24)9-18(14)2/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,20,21)/p-1/t13-/m0/s1