3-(4-chlorophenyl)-5-methyl-7-[(2-methyl-4-nitro-phenyl)carbamoyl]-4-oxidanylidene-pyrrolo[3,2-d]pyrimidin-2-olate

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-7-[(2-methyl-4-nitro-phenyl)carbamoyl]-4-oxidanylidene-pyrrolo[3,2-d]pyrimidin-2-olate Openeye Name: 3-(4-chlorophenyl)-5-methyl-7-[(2-methyl-4-nitro-phenyl)carbamoyl]-4-oxo-pyrrolo[3,2-d]pyrimidin-2-olate CAS Name: 3-(4-chlorophenyl)-5-methyl-7-[(2-methyl-4-nitroanilino)-oxomethyl]-4-oxo-2-pyrrolo[3,2-d]pyrimidinolate IUPAC Name: 3-(4-chlorophenyl)-5-methyl-7-[(2-methyl-4-nitrophenyl)carbamoyl]-4-oxopyrrolo[3,2-d]pyrimidin-2-olate Traditional Name: 3-(4-chlorophenyl)-4-keto-5-methyl-7-[(2-methyl-4-nitro-phenyl)carbamoyl]pyrrolo[3,2-d]pyrimidin-2-olate Formula: C21H15ClN5O5- MolecularWeight: 452.8273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(C3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(C3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)[O-])C

InChI

InChI=1S/C21H16ClN5O5/c1-11-9-14(27(31)32)7-8-16(11)23-19(28)15-10-25(2)18-17(15)24-21(30)26(20(18)29)13-5-3-12(22)4-6-13/h3-10H,1-2H3,(H,23,28)(H,24,30)/p-1