[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-10(2)11(3)18-15(20)9-24-16(21)7-5-12-4-6-13(17)14(8-12)19(22)23/h4-8,10-11H,9H2,1-3H3,(H,18,20)/b7-5+