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

Systemtic Name: 3-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c18-13(19)7-11(9-4-2-1-3-5-9)16-14(20)12-6-10(8-15-12)17(21)22/h1-6,8,11,15H,7H2,(H,16,20)(H,18,19)