2-[cyclohexyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]benzoic acid

Systemtic Name: 2-[cyclohexyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]benzoic acid Openeye Name: 2-[cyclohexyl-[2-(3-nitroanilino)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[cyclohexyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[cyclohexyl-[2-(3-nitroanilino)-2-oxoethyl]carbamoyl]benzoic acid Traditional Name: 2-[cyclohexyl-[2-keto-2-(3-nitroanilino)ethyl]carbamoyl]benzoic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23N3O6/c26-20(23-15-7-6-10-17(13-15)25(30)31)14-24(16-8-2-1-3-9-16)21(27)18-11-4-5-12-19(18)22(28)29/h4-7,10-13,16H,1-3,8-9,14H2,(H,23,26)(H,28,29)