methyl 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[4-(4-nitrophenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-[4-(4-nitrophenyl)piperazino]pyridazin-1-yl]acetic acid methyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O5/c1-27-17(24)12-21-16(23)7-6-15(18-21)20-10-8-19(9-11-20)13-2-4-14(5-3-13)22(25)26/h2-7H,8-12H2,1H3