[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5/c1-12(2)3-8-16(21)24-11-15(20)18-10-9-17-13-4-6-14(7-5-13)19(22)23/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)