[4-[3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-nitrobenzoate Openeye Name: [4-[3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[3-(hydroxymethyl)-2-oxiranyl]phenyl] ester IUPAC Name: [4-[3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(3-methyloloxiran-2-yl)phenyl] ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(O2)CO)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2C(O2)CO)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c18-9-14-15(23-14)10-3-7-13(8-4-10)22-16(19)11-1-5-12(6-2-11)17(20)21/h1-8,14-15,18H,9H2