methyl 2-[3-nitro-4-(prop-2-enylamino)phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-(prop-2-enylamino)phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(allylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[3-nitro-4-(prop-2-enylamino)phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-(prop-2-enylamino)benzoyl]benzoate Traditional Name: 2-[4-(allylamino)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-3-10-19-15-9-8-12(11-16(15)20(23)24)17(21)13-6-4-5-7-14(13)18(22)25-2/h3-9,11,19H,1,10H2,2H3