methyl 5-nitro-2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzoate

Systemtic Name: methyl 5-nitro-2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzoate Openeye Name: methyl 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitro-benzoate CAS Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitro-benzoic acid methyl ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15N3O7/c1-26-16(21)13-8-12(19(24)25)6-7-14(13)17-9-15(20)10-2-4-11(5-3-10)18(22)23/h2-8,15,17,20H,9H2,1H3