methyl 2-[[4-bromanyl-3-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[[4-bromanyl-3-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-benzoate Openeye Name: methyl 2-[[4-bromo-3-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-benzoate CAS Name: 2-[[4-bromo-3-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-3-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitrobenzoate Traditional Name: 2-[[4-bromo-3-(1,3-dioxolan-2-yl)benzyl]amino]-3-nitro-benzoic acid methyl ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)Br)C3OCCO3

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)Br)C3OCCO3

InChI

InChI=1S/C18H17BrN2O6/c1-25-17(22)12-3-2-4-15(21(23)24)16(12)20-10-11-5-6-14(19)13(9-11)18-26-7-8-27-18/h2-6,9,18,20H,7-8,10H2,1H3