N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(E)-(4-methoxyphenyl)methyleneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-6-nitro-N-[(E)-p-anisylideneamino]-1H-quinazoline-2-carboxamide Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c1-27-12-5-2-10(3-6-12)9-18-21-17(24)15-19-14-7-4-11(22(25)26)8-13(14)16(23)20-15/h2-9H,1H3,(H,21,24)(H,19,20,23)/b18-9+