[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxynaphthalene-2-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC3=CC=CC=C3C=C2OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

InChI=1S/C21H17ClN2O6/c1-12(20(25)23-18-11-15(24(27)28)7-8-17(18)22)30-21(26)16-9-13-5-3-4-6-14(13)10-19(16)29-2/h3-12H,1-2H3,(H,23,25)