3-(4-methylphenyl)-3-[[1-[(2-nitrophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-methylphenyl)-3-[[1-[(2-nitrophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(2-nitrophenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-3-[[[[1-[(2-nitrophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-[[1-[(2-nitrophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[2-keto-1-(2-nitrobenzyl)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6/c1-15-8-10-16(11-9-15)19(13-21(28)29)25-23(31)24-18-6-4-12-26(22(18)30)14-17-5-2-3-7-20(17)27(32)33/h2-12,19H,13-14H2,1H3,(H,28,29)(H2,24,25,31)