N-[(E)-(3-bromophenyl)methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[(E)-(3-bromobenzylidene)amino]-4-keto-6-nitro-1H-quinazoline-2-carboxamide Formula: C16H10BrN5O4 MolecularWeight: 416.1857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN5O4/c17-10-3-1-2-9(6-10)8-18-21-16(24)14-19-13-5-4-11(22(25)26)7-12(13)15(23)20-14/h1-8H,(H,21,24)(H,19,20,23)/b18-8+