[5-(4-azanyl-3,5-dimethyl-phenoxy)-2-nitro-phenyl] N-methylcarbamate

Systemtic Name: [5-(4-azanyl-3,5-dimethyl-phenoxy)-2-nitro-phenyl] N-methylcarbamate Openeye Name: [5-(4-amino-3,5-dimethyl-phenoxy)-2-nitro-phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-(4-amino-3,5-dimethylphenoxy)-2-nitrophenyl] ester IUPAC Name: [5-(4-amino-3,5-dimethylphenoxy)-2-nitrophenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-(4-amino-3,5-dimethyl-phenoxy)-2-nitro-phenyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC

Isomeric SMILES

CC1=CC(=CC(=C1N)C)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC

InChI

InChI=1S/C16H17N3O5/c1-9-6-12(7-10(2)15(9)17)23-11-4-5-13(19(21)22)14(8-11)24-16(20)18-3/h4-8H,17H2,1-3H3,(H,18,20)