methyl 5-[[(4-azanyl-3-nitro-phenyl)carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[(4-azanyl-3-nitro-phenyl)carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[(4-amino-3-nitro-benzoyl)-methyl-amino]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[(4-amino-3-nitrophenyl)-oxomethyl]-methylamino]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(4-amino-3-nitrobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4-amino-3-nitro-benzoyl)-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O6/c1-9-12(16(21)24-3)7-11(25-9)8-18(2)15(20)10-4-5-13(17)14(6-10)19(22)23/h4-7H,8,17H2,1-3H3