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

Systemtic Name: 3-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[(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(CC(=O)O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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