ethyl 2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-nitro-pyridin-2-yl]benzoate

Systemtic Name: ethyl 2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-nitro-pyridin-2-yl]benzoate Openeye Name: ethyl 2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-nitro-2-pyridyl]benzoate CAS Name: 2-[6-[4-(cyclopropylmethyl)-1-piperazinyl]-3-nitro-2-pyridinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-nitropyridin-2-yl]benzoate Traditional Name: 2-[6-[4-(cyclopropylmethyl)piperazino]-3-nitro-2-pyridyl]benzoic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C(C=CC(=N2)N3CCN(CC3)CC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C(C=CC(=N2)N3CCN(CC3)CC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-2-30-22(27)18-6-4-3-5-17(18)21-19(26(28)29)9-10-20(23-21)25-13-11-24(12-14-25)15-16-7-8-16/h3-6,9-10,16H,2,7-8,11-15H2,1H3