methyl 2-[[4-(furan-2-ylcarbonylamino)phenyl]methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonylamino)phenyl]methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[[4-(furan-2-carbonylamino)phenyl]methylamino]-5-nitro-benzoate CAS Name: 2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-carbonylamino)phenyl]methylamino]-5-nitrobenzoate Traditional Name: 2-[[4-(2-furoylamino)benzyl]amino]-5-nitro-benzoic acid methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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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)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H17N3O6/c1-28-20(25)16-11-15(23(26)27)8-9-17(16)21-12-13-4-6-14(7-5-13)22-19(24)18-3-2-10-29-18/h2-11,21H,12H2,1H3,(H,22,24)