ethyl 3-nitro-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate Traditional Name: 3-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19N5O6 MolecularWeight: 413.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6/c1-2-30-19(27)13-7-12(8-15(9-13)24(28)29)18(26)22-14-3-4-16(21-10-14)23-6-5-20-17(25)11-23/h3-4,7-10H,2,5-6,11H2,1H3,(H,20,25)(H,22,26)