[methyl-(2-methylprop-2-enoyl)-[1-[(4-nitrophenyl)amino]ethyl]azaniumyl]methanoate

Systemtic Name: [methyl-(2-methylprop-2-enoyl)-[1-[(4-nitrophenyl)amino]ethyl]azaniumyl]methanoate Openeye Name: [methyl-(2-methylprop-2-enoyl)-[1-(4-nitroanilino)ethyl]ammonio]formate CAS Name: [methyl-(2-methyl-1-oxoprop-2-enyl)-[1-(4-nitroanilino)ethyl]ammonio]formate IUPAC Name: [methyl-(2-methylprop-2-enoyl)-[1-(4-nitroanilino)ethyl]azaniumyl]formate Traditional Name: [methacryloyl-methyl-[1-(4-nitroanilino)ethyl]ammonio]formate Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=C(C=C1)[N+](=O)[O-])[N+](C)(C(=O)C(=C)C)C(=O)[O-]

Isomeric SMILES

CC(NC1=CC=C(C=C1)[N+](=O)[O-])[N+](C)(C(=O)C(=C)C)C(=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-9(2)13(18)17(4,14(19)20)10(3)15-11-5-7-12(8-6-11)16(21)22/h5-8,10,15H,1H2,2-4H3