methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-(4-o-phenetylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O6/c1-3-30-19-7-5-4-6-18(19)22-8-10-23(11-9-22)20(25)15-12-16(21(26)29-2)14-17(13-15)24(27)28/h4-7,12-14H,3,8-11H2,1-2H3