(2-phenoxyphenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (2-phenoxyphenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-phenoxyphenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-phenoxyphenyl)methyl ester IUPAC Name: (2-phenoxyphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-phenoxybenzyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-22-18-12-11-15(13-19(18)23(25)26)21(24)27-14-16-7-5-6-10-20(16)28-17-8-3-2-4-9-17/h2-13,22H,14H2,1H3