[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-nitrobenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-3-7-14-12(16)9(2)20-13(17)10-5-4-6-11(8-10)15(18)19/h3-6,8-9H,1,7H2,2H3,(H,14,16)