5-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-carbamoyl]-2-nitro-phenolate Formula: C17H13N4O5- MolecularWeight: 353.30892

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

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