3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c21-15(18-7-3-1-2-4-8-18)10-19-11-17-14-9-12(20(23)24)5-6-13(14)16(19)22/h5-6,9,11H,1-4,7-8,10H2