phenol; (phenylmethyl) N-(3-nitropyridin-2-yl)carbamate

Systemtic Name: phenol; (phenylmethyl) N-(3-nitropyridin-2-yl)carbamate Openeye Name: benzyl N-(3-nitro-2-pyridyl)carbamate; phenol CAS Name: N-(3-nitro-2-pyridinyl)carbamic acid (phenylmethyl) ester; phenol IUPAC Name: benzyl N-(3-nitropyridin-2-yl)carbamate; phenol Traditional Name: N-(3-nitro-2-pyridyl)carbamic acid benzyl ester; phenol Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC=N2)[N+](=O)[O-].C1=CC=C(C=C1)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC=N2)[N+](=O)[O-].C1=CC=C(C=C1)O

InChI

InChI=1S/C13H11N3O4.C6H6O/c17-13(20-9-10-5-2-1-3-6-10)15-12-11(16(18)19)7-4-8-14-12;7-6-4-2-1-3-5-6/h1-8H,9H2,(H,14,15,17);1-5,7H