dimethyl 6-azanyl-5-methylsulfanyl-4-nitro-2-phenyl-pyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylate

Systemtic Name: dimethyl 6-azanyl-5-methylsulfanyl-4-nitro-2-phenyl-pyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylate Openeye Name: dimethyl 6-amino-5-methylsulfanyl-4-nitro-2-phenyl-pyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylate CAS Name: 6-amino-5-(methylthio)-4-nitro-2-phenylpyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-amino-5-methylsulfanyl-4-nitro-2-phenylpyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylate Traditional Name: 6-amino-5-(methylthio)-4-nitro-2-phenyl-pyrazolo[1,5-a][1,8]naphthyridine-7,8-dicarboxylic acid dimethyl ester Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C1N)C(=C(C3=CC(=NN32)C4=CC=CC=C4)[N+](=O)[O-])SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C1N)C(=C(C3=CC(=NN32)C4=CC=CC=C4)[N+](=O)[O-])SC)C(=O)OC

InChI

InChI=1S/C21H17N5O6S/c1-31-20(27)13-15(22)14-18(33-3)17(26(29)30)12-9-11(10-7-5-4-6-8-10)24-25(12)19(14)23-16(13)21(28)32-2/h4-9H,1-3H3,(H2,22,23)