1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-11(17-20-14-7-5-4-6-13(14)18(24)21-17)28-19(25)12-8-9-15(22(2)3)16(10-12)23(26)27/h4-11H,1-3H3,(H,20,21,24)