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

Systemtic Name: (3S)-3-(4-methylphenyl)-3-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]propanoate Openeye Name: (3S)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3S)-3-(4-methylphenyl)-3-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]propanoate IUPAC Name: (3S)-3-(4-methylphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate Traditional Name: (3S)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-(p-tolyl)propionate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-9-2-4-10(5-3-9)12(7-14(19)20)17-15(21)13-6-11(8-16-13)18(22)23/h2-6,8,12,16H,7H2,1H3,(H,17,21)(H,19,20)/p-1/t12-/m0/s1