[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O6/c1-4-21-14-6-5-12(8-16(14)23(26)27)19(25)29-10-18(24)22-15-7-11(2)13(20)9-17(15)28-3/h5-9,21H,4,10H2,1-3H3,(H,22,24)