[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H15N3O7/c1-9(16(21)19-10-2-5-14-15(6-10)26-8-25-14)27-17(22)12-4-3-11(20(23)24)7-13(12)18/h2-7,9H,8,18H2,1H3,(H,19,21)/t9-/m1/s1