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

Systemtic Name: 2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(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)CC(C(=O)O)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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