3-[(2-nitrophenyl)amino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(2-nitroanilino)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-(2-nitroanilino)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(2-nitroanilino)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(2-nitroanilino)propionamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c25-17(7-8-19-14-3-1-2-4-15(14)24(27)28)22-13-5-6-16(21-11-13)23-10-9-20-18(26)12-23/h1-6,11,19H,7-10,12H2,(H,20,26)(H,22,25)