4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]-3-nitro-benzoic acid Openeye Name: 4-[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propoxy]-3-nitro-benzoic acid CAS Name: 4-[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propoxy]-3-nitrobenzoic acid IUPAC Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propoxy]-3-nitro-benzoic acid Formula: C29H30N4O8 MolecularWeight: 562.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)OC4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)OC4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C29H30N4O8/c1-17-6-3-4-7-20(17)31-29(37)32-21-11-9-18(15-26(21)40-2)14-24(34)27(22-8-5-13-30-22)41-25-12-10-19(28(35)36)16-23(25)33(38)39/h3-4,6-7,9-12,15-16,22,27,30H,5,8,13-14H2,1-2H3,(H,35,36)(H2,31,32,37)