2-nitro-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide

Systemtic Name: 2-nitro-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Openeye Name: 2-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide CAS Name: 2-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide IUPAC Name: 2-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-2-nitro-benzamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C20H18N4O4/c25-19(14-6-3-4-7-17(14)24(27)28)21-13-9-10-16-15(12-13)20(26)23-11-5-1-2-8-18(23)22-16/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,21,25)