ethyl 1-(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(6-nitro-4-oxo-1H-quinazolin-7-yl)piperidine-3-carboxylate CAS Name: 1-(6-nitro-4-oxo-1H-quinazolin-7-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-nitro-4-oxo-1H-quinazolin-7-yl)piperidine-3-carboxylate Traditional Name: 1-(4-keto-6-nitro-1H-quinazolin-7-yl)nipecotic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-2-25-16(22)10-4-3-5-19(8-10)13-7-12-11(6-14(13)20(23)24)15(21)18-9-17-12/h6-7,9-10H,2-5,8H2,1H3,(H,17,18,21)