[3-butyl-6-chloranyl-6-[[(E)-2-nitroethenyl]amino]cyclohexa-2,4-dien-1-yl]-phenyl-methanone

Systemtic Name: [3-butyl-6-chloranyl-6-[[(E)-2-nitroethenyl]amino]cyclohexa-2,4-dien-1-yl]-phenyl-methanone Openeye Name: [3-butyl-6-chloro-6-[[(E)-2-nitrovinyl]amino]cyclohexa-2,4-dien-1-yl]-phenyl-methanone CAS Name: [3-butyl-6-chloro-6-[[(E)-2-nitroethenyl]amino]-1-cyclohexa-2,4-dienyl]-phenylmethanone IUPAC Name: [3-butyl-6-chloro-6-[[(E)-2-nitroethenyl]amino]cyclohexa-2,4-dien-1-yl]-phenylmethanone Traditional Name: [3-butyl-6-chloro-6-[[(E)-2-nitrovinyl]amino]cyclohexa-2,4-dien-1-yl]-phenyl-methanone Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(C=C1)(NC=C[N+](=O)[O-])Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC(C(C=C1)(N/C=C/[N+](=O)[O-])Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21ClN2O3/c1-2-3-7-15-10-11-19(20,21-12-13-22(24)25)17(14-15)18(23)16-8-5-4-6-9-16/h4-6,8-14,17,21H,2-3,7H2,1H3/b13-12+