(4-aminocarbonyl-2-nitro-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H17N3O9 MolecularWeight: 419.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O9/c1-3-29-16-8-14(21(26)27)12(7-15(16)28-2)18(23)30-9-11-5-4-10(17(19)22)6-13(11)20(24)25/h4-8H,3,9H2,1-2H3,(H2,19,22)