(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C18H19BrN2O6 MolecularWeight: 439.25726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C18H19BrN2O6/c1-3-25-16-8-12(13(19)9-17(16)26-4-2)10-27-18(22)11-5-6-14(20)15(7-11)21(23)24/h5-9H,3-4,10,20H2,1-2H3