2-chloranyl-N-[2-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-3-yl]-3,5-dinitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-3-yl]-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-3-yl]-3,5-dinitro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-4-oxo-3-quinazolinyl]-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-4-oxoquinazolin-3-yl]-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-4-keto-quinazolin-3-yl]-3,5-dinitro-benzamide Formula: C23H16ClN5O8 MolecularWeight: 525.85484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=CC(=C4Cl)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=CC(=C4Cl)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C23H16ClN5O8/c1-36-18-8-7-12(9-19(18)37-2)21-25-16-6-4-3-5-14(16)23(31)27(21)26-22(30)15-10-13(28(32)33)11-17(20(15)24)29(34)35/h3-11H,1-2H3,(H,26,30)