3-[(2-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[(2-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[(2-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(2-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-(o-toluoylamino)propionic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-5-2-3-8-14(11)17(22)18-15(10-16(20)21)12-6-4-7-13(9-12)19(23)24/h2-9,15H,10H2,1H3,(H,18,22)(H,20,21)