[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-4-7-16-13(18)9(2)22-14(19)10-5-6-11(15-3)12(8-10)17(20)21/h4-6,8-9,15H,1,7H2,2-3H3,(H,16,18)