N-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]-3-nitro-benzamide Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C17H16ClN3O6/c1-26-14-8-13(15(27-2)7-12(14)18)20-16(22)9-19-17(23)10-4-3-5-11(6-10)21(24)25/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)