2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

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