N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-2-methyl-pyridin-1-ium-1-carboxamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-2-methyl-pyridin-1-ium-1-carboxamide Openeye Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-2-methyl-pyridin-1-ium-1-carboxamide CAS Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-2-methyl-1-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-2-methylpyridin-1-ium-1-carboxamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]-2-methyl-pyridin-1-ium-1-carboxamide Formula: C21H15Cl2N6O4+ MolecularWeight: 486.2876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=[N+]1C(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N6O4/c1-11-4-2-3-7-28(11)21(31)25-17-10-13(29(32)33)9-14-18(17)26-20(27-19(14)30)24-12-5-6-15(22)16(23)8-12/h2-10H,1H3,(H2-,24,25,26,27,30,31)/p+1