ethyl 3-methyl-2-[(E)-C-methyl-N-[(3-nitrophenyl)carbonylamino]carbonimidoyl]butanoate

Systemtic Name: ethyl 3-methyl-2-[(E)-C-methyl-N-[(3-nitrophenyl)carbonylamino]carbonimidoyl]butanoate Openeye Name: ethyl (3E)-2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate CAS Name: 3-methyl-2-[(1E)-1-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]ethyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(E)-C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]butanoate Traditional Name: (3E)-2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butyric acid ethyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)C(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(C(C)C)/C(=N/NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C

InChI

InChI=1S/C16H21N3O5/c1-5-24-16(21)14(10(2)3)11(4)17-18-15(20)12-7-6-8-13(9-12)19(22)23/h6-10,14H,5H2,1-4H3,(H,18,20)/b17-11+