methyl 2-(4-chlorophenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazino]acetic acid methyl ester Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C21H22ClN5O4/c1-31-21(28)20(15-2-4-17(22)5-3-15)25-10-8-24(9-11-25)14-26-19-7-6-18(27(29)30)12-16(19)13-23-26/h2-7,12-13,20H,8-11,14H2,1H3