(6Z)-6-(azanylmethylidene)-4-hexyl-3-oxidanyl-cyclohexa-2,4-dien-1-one; N-methyl-4-nitro-benzamide

Systemtic Name: (6Z)-6-(azanylmethylidene)-4-hexyl-3-oxidanyl-cyclohexa-2,4-dien-1-one; N-methyl-4-nitro-benzamide Openeye Name: (6Z)-6-(aminomethylene)-4-hexyl-3-hydroxy-cyclohexa-2,4-dien-1-one; N-methyl-4-nitro-benzamide CAS Name: (6Z)-6-(aminomethylidene)-4-hexyl-3-hydroxy-1-cyclohexa-2,4-dienone; N-methyl-4-nitrobenzamide IUPAC Name: (6Z)-6-(aminomethylidene)-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one; N-methyl-4-nitrobenzamide Traditional Name: (6Z)-6-(aminomethylene)-4-hexyl-3-hydroxy-cyclohexa-2,4-dien-1-one; N-methyl-4-nitro-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN)C(=O)C=C1O.CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C/C(=C/N)/C(=O)C=C1O.CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C8H8N2O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15;1-9-8(11)6-2-4-7(5-3-6)10(12)13/h7-9,15H,2-6,14H2,1H3;2-5H,1H3,(H,9,11)/b11-9-;