(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O6/c17-12-3-10-6-23-8-25-15(10)11(4-12)7-24-16(20)9-1-2-13(18)14(5-9)19(21)22/h1-5H,6-8,18H2