[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C19H20ClN3O6/c1-12-15(20)4-3-5-16(12)22-18(24)11-29-19(25)14-10-13(23(26)27)6-7-17(14)21-8-9-28-2/h3-7,10,21H,8-9,11H2,1-2H3,(H,22,24)