[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5/c1-9(15-19-14-5-3-2-4-12(14)16(22)20-15)26-17(23)11-7-6-10(21(24)25)8-13(11)18/h2-9H,18H2,1H3,(H,19,20,22)/t9-/m0/s1