N-[(E)-[2,5-bis(chloranyl)phenyl]methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(E)-[2,5-bis(chloranyl)phenyl]methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(E)-(2,5-dichlorophenyl)methyleneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(E)-(2,5-dichlorophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(E)-(2,5-dichlorophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[(E)-(2,5-dichlorobenzylidene)amino]-4-keto-6-nitro-1H-quinazoline-2-carboxamide Formula: C16H9Cl2N5O4 MolecularWeight: 406.17976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=C(N2)C(=O)NN=CC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=C(N2)C(=O)N/N=C/C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C16H9Cl2N5O4/c17-9-1-3-12(18)8(5-9)7-19-22-16(25)14-20-13-4-2-10(23(26)27)6-11(13)15(24)21-14/h1-7H,(H,22,25)(H,20,21,24)/b19-7+