(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H17ClN4O5 MolecularWeight: 464.85788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O5/c24-16-7-8-17-19(11-16)26-21(27-22(17)29)13-33-23(30)15-6-9-18(20(10-15)28(31)32)25-12-14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H,26,27,29)