(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O5/c22-14-5-6-15-16(11-14)23-19(24-20(15)27)12-31-21(28)13-4-7-17(18(10-13)26(29)30)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9,12H2,(H,23,24,27)