N-[N-(4-methylquinazolin-2-yl)-N'-(3-nitrophenyl)carbonyl-carbamimidoyl]-3-nitro-benzamide

Systemtic Name: N-[N-(4-methylquinazolin-2-yl)-N'-(3-nitrophenyl)carbonyl-carbamimidoyl]-3-nitro-benzamide Openeye Name: N-[N-(4-methylquinazolin-2-yl)-N'-(3-nitrobenzoyl)carbamimidoyl]-3-nitro-benzamide CAS Name: N-[[(4-methyl-2-quinazolinyl)amino]-[(3-nitrophenyl)-oxomethyl]iminomethyl]-3-nitrobenzamide IUPAC Name: N-[N-(4-methylquinazolin-2-yl)-N'-(3-nitrobenzoyl)carbamimidoyl]-3-nitrobenzamide Traditional Name: N-[N-(4-methylquinazolin-2-yl)-N'-(3-nitrobenzoyl)amidino]-3-nitro-benzamide Formula: C24H17N7O6 MolecularWeight: 499.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H17N7O6/c1-14-19-10-2-3-11-20(19)26-23(25-14)29-24(27-21(32)15-6-4-8-17(12-15)30(34)35)28-22(33)16-7-5-9-18(13-16)31(36)37/h2-13H,1H3,(H2,25,26,27,28,29,32,33)