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

Systemtic Name: methyl 2-nitro-3-oxidanylidene-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylamino]propanoate Openeye Name: methyl 3-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]amino]-2-nitro-3-oxo-propanoate CAS Name: 3-[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-2-nitro-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-nitro-3-oxo-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylamino]propanoate Traditional Name: 3-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]amino]-3-keto-2-nitro-propionic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-10(2)11-7-6-8-12(9-11)16(3,4)17-14(19)13(18(21)22)15(20)23-5/h6-9,13H,1H2,2-5H3,(H,17,19)