ethyl 2-nitro-3-oxidanylidene-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylamino]propanoate

Systemtic Name: ethyl 2-nitro-3-oxidanylidene-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylamino]propanoate Openeye Name: ethyl 3-[[1-(4-isopropenylphenyl)-1-methyl-ethyl]amino]-2-nitro-3-oxo-propanoate CAS Name: 3-[2-[4-(1-methylethenyl)phenyl]propan-2-ylamino]-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-oxo-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylamino]propanoate Traditional Name: 3-[[1-(4-isopropenylphenyl)-1-methyl-ethyl]amino]-3-keto-2-nitro-propionic acid ethyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-6-24-16(21)14(19(22)23)15(20)18-17(4,5)13-9-7-12(8-10-13)11(2)3/h7-10,14H,2,6H2,1,3-5H3,(H,18,20)