ethyl 4-[2-[3-[(4-nitrophenyl)amino]propylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-[(4-nitrophenyl)amino]propylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(4-nitroanilino)propylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(4-nitroanilino)propylamino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-nitroanilino)propylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[3-(4-nitroanilino)propylamino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5/c1-2-28-18(25)22-12-10-21(11-13-22)14-17(24)20-9-3-8-19-15-4-6-16(7-5-15)23(26)27/h4-7,19H,2-3,8-14H2,1H3,(H,20,24)