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

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O5/c1-11-4-6-14(13(19)8-11)20-17(23)10-27-18(24)12-5-7-15(21(2)3)16(9-12)22(25)26/h4-9H,10H2,1-3H3,(H,20,23)