[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-10-3-5-12(25-10)8-18(2)15(20)9-24-16(21)13-7-11(19(22)23)4-6-14(13)17/h3-7H,8-9,17H2,1-2H3