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

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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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)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-11(18-22-15-5-3-2-4-14(15)19(25)23-18)29-20(26)12-6-9-16(21-13-7-8-13)17(10-12)24(27)28/h2-6,9-11,13,21H,7-8H2,1H3,(H,22,23,25)