3-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-pentyl-quinazolin-4-one

Systemtic Name: 3-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-pentyl-quinazolin-4-one Openeye Name: 3-[[(Z)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-pentyl-quinazolin-4-one CAS Name: 3-[[(Z)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-pentyl-4-quinazolinone IUPAC Name: 3-[[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-pentylquinazolin-4-one Traditional Name: 2-amyl-3-[[(Z)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=CC=C2C(=O)N1NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NC2=CC=CC=C2C(=O)N1N/C=C\3/C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-2-3-4-9-19-22-17-8-6-5-7-16(17)20(26)23(19)21-13-14-12-15(24(27)28)10-11-18(14)25/h5-8,10-13,21H,2-4,9H2,1H3/b14-13-