phenyl N-[3-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]propyl]carbamate

Systemtic Name: phenyl N-[3-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]propyl]carbamate Openeye Name: phenyl N-[3-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]propyl]carbamate CAS Name: N-[3-[2-[[(3-methoxy-4-nitrophenyl)-oxomethyl]-methylamino]-5-methylphenoxy]propyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3-[2-[(3-methoxy-4-nitrobenzoyl)-methylamino]-5-methylphenoxy]propyl]carbamate Traditional Name: N-[3-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]propyl]carbamic acid phenyl ester Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCNC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCNC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O7/c1-18-10-12-21(28(2)25(30)19-11-13-22(29(32)33)23(17-19)34-3)24(16-18)35-15-7-14-27-26(31)36-20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,27,31)