(phenylmethyl) N-[1H-indol-3-ylmethyl-(3-nitro-2-oxidanylidene-propyl)carbamoyl]-N-(3-methylbutyl)carbamate

Systemtic Name: (phenylmethyl) N-[1H-indol-3-ylmethyl-(3-nitro-2-oxidanylidene-propyl)carbamoyl]-N-(3-methylbutyl)carbamate Openeye Name: benzyl N-[1H-indol-3-ylmethyl-(3-nitro-2-oxo-propyl)carbamoyl]-N-isopentyl-carbamate CAS Name: N-[[1H-indol-3-ylmethyl-(3-nitro-2-oxopropyl)amino]-oxomethyl]-N-(3-methylbutyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1H-indol-3-ylmethyl-(3-nitro-2-oxopropyl)carbamoyl]-N-(3-methylbutyl)carbamate Traditional Name: N-[1H-indol-3-ylmethyl-(2-keto-3-nitro-propyl)carbamoyl]-N-isoamyl-carbamic acid benzyl ester Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)N(CC1=CNC2=CC=CC=C21)CC(=O)C[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C(=O)N(CC1=CNC2=CC=CC=C21)CC(=O)C[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O6/c1-19(2)12-13-29(26(33)36-18-20-8-4-3-5-9-20)25(32)28(16-22(31)17-30(34)35)15-21-14-27-24-11-7-6-10-23(21)24/h3-11,14,19,27H,12-13,15-18H2,1-2H3