6-[[[4-(azepan-1-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(azepan-1-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(azepan-1-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1-azepanyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(azepan-1-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(azepan-1-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19-10-9-18(22(24)25)13-15(19)14-20-16-5-7-17(8-6-16)21-11-3-1-2-4-12-21/h5-10,13-14,20H,1-4,11-12H2