methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate

Systemtic Name: methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate Openeye Name: methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate CAS Name: N-[8-(methoxycarbonylamino)-1-pyrenyl]carbamic acid methyl ester IUPAC Name: methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate Traditional Name: N-[8-(carbomethoxyamino)pyren-1-yl]carbamic acid methyl ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC

Isomeric SMILES

COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC

InChI

InChI=1S/C20H16N2O4/c1-25-19(23)21-15-9-5-11-3-4-12-6-10-16(22-20(24)26-2)14-8-7-13(15)17(11)18(12)14/h3-10H,1-2H3,(H,21,23)(H,22,24)