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

Systemtic Name: N-[4-chloranyl-3-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]butanamide Openeye Name: N-[3-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-chloro-phenyl]butanamide CAS Name: N-[4-chloro-3-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenyl]butanamide IUPAC Name: N-[3-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-chlorophenyl]butanamide Traditional Name: N-[3-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-chloro-phenyl]butyramide Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H22ClN3O4/c1-2-6-23(29)27-19-9-10-20(25)21(14-19)26-15-18-12-17(11-16-7-4-3-5-8-16)13-22(24(18)30)28(31)32/h3-5,7-10,12-15,26H,2,6,11H2,1H3,(H,27,29)