[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-[(2-methylbenzoyl)amino]acetate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]acetic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate Traditional Name: 2-(o-toluoylamino)acetic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O6/c1-11-4-2-3-5-13(11)18(25)20-9-17(24)28-10-16(23)21-12-6-7-14(19)15(8-12)22(26)27/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23)