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(phenylmethyl) 2-isocyanato-6-methyl-4-nitro-benzoate

(phenylmethyl) 2-isocyanato-6-methyl-4-nitro-benzoate

Systemtic Name:(phenylmethyl) 2-isocyanato-6-methyl-4-nitro-benzoate
Openeye Name:benzyl 2-isocyanato-6-methyl-4-nitro-benzoate
CAS Name:2-isocyanato-6-methyl-4-nitrobenzoic acid (phenylmethyl) ester
IUPAC Name:benzyl 2-isocyanato-6-methyl-4-nitrobenzoate
Traditional Name:2-isocyanato-6-methyl-4-nitro-benzoic acid benzyl ester
Formula: C16H12N2O5
MolecularWeight: 312.27688
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)N=C=O)[N+](=O)[O-]


Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)N=C=O)[N+](=O)[O-]


InChI

InChI=1S/C16H12N2O5/c1-11-7-13(18(21)22)8-14(17-10-19)15(11)16(20)23-9-12-5-3-2-4-6-12/h2-8H,9H2,1H3


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