[2-nitro-4-(phenylmethoxycarbonylamino)naphthalen-1-yl] butanoate

Systemtic Name: [2-nitro-4-(phenylmethoxycarbonylamino)naphthalen-1-yl] butanoate Openeye Name: [4-(benzyloxycarbonylamino)-2-nitro-1-naphthyl] butanoate CAS Name: butanoic acid [2-nitro-4-(phenylmethoxycarbonylamino)-1-naphthalenyl] ester IUPAC Name: [2-nitro-4-(phenylmethoxycarbonylamino)naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-(benzyloxycarbonylamino)-2-nitro-1-naphthyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-2-8-20(25)30-21-17-12-7-6-11-16(17)18(13-19(21)24(27)28)23-22(26)29-14-15-9-4-3-5-10-15/h3-7,9-13H,2,8,14H2,1H3,(H,23,26)