methyl 3-nitro-4-(prop-2-enylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(prop-2-enylamino)benzoate Openeye Name: methyl 4-(allylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-(prop-2-enylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(prop-2-enylamino)benzoate Traditional Name: 4-(allylamino)-3-nitro-benzoic acid methyl ester Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4/c1-3-6-12-9-5-4-8(11(14)17-2)7-10(9)13(15)16/h3-5,7,12H,1,6H2,2H3