3-nitro-5-oxidanylidene-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carbaldehyde

Systemtic Name: 3-nitro-5-oxidanylidene-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carbaldehyde Openeye Name: 3-nitro-5-oxo-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carbaldehyde CAS Name: 3-nitro-5-oxo-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carboxaldehyde IUPAC Name: 3-nitro-5-oxo-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carbaldehyde Traditional Name: 5-keto-3-nitro-8,9,10,11-tetrahydro-6H-azepino[1,2-a]quinazoline-7-carbaldehyde Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC2=C(C1)C=O

Isomeric SMILES

C1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC2=C(C1)C=O

InChI

InChI=1S/C14H13N3O4/c18-8-9-3-1-2-6-16-12-5-4-10(17(20)21)7-11(12)14(19)15-13(9)16/h4-5,7-8H,1-3,6H2,(H,15,19)