ethyl 3-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(3,4-dichloroanilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3,4-dichloroanilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17Cl2N3O6 MolecularWeight: 454.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17Cl2N3O6/c1-3-30-19(27)12-6-11(7-14(8-12)24(28)29)18(26)23(2)10-17(25)22-13-4-5-15(20)16(21)9-13/h4-9H,3,10H2,1-2H3,(H,22,25)