3-chloranyl-N-[4-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzamide Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5/c1-30-19-11-18(25(28)29)10-14(20(19)26)12-23-16-5-7-17(8-6-16)24-21(27)13-3-2-4-15(22)9-13/h2-12,23H,1H3,(H,24,27)