methyl 2-[(4-methoxy-2-nitro-phenoxy)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-methoxy-2-nitro-phenoxy)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-methoxy-2-nitro-phenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2-nitrophenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-methoxy-2-nitro-phenoxy)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7/c1-26-11-4-6-15(14(8-11)21(24)25)28-9-16-19-13-7-10(18(23)27-2)3-5-12(13)17(22)20-16/h3-8H,9H2,1-2H3,(H,19,20,22)