[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NCC=C

InChI

InChI=1S/C14H16N2O5/c1-4-8-15-13(17)10(3)21-14(18)11-6-5-7-12(9(11)2)16(19)20/h4-7,10H,1,8H2,2-3H3,(H,15,17)