methyl 2-(hexylcarbamoylamino)-3-nitro-benzoate

Systemtic Name: methyl 2-(hexylcarbamoylamino)-3-nitro-benzoate Openeye Name: methyl 2-(hexylcarbamoylamino)-3-nitro-benzoate CAS Name: 2-[[(hexylamino)-oxomethyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(hexylcarbamoylamino)-3-nitrobenzoate Traditional Name: 2-(hexylcarbamoylamino)-3-nitro-benzoic acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCCNC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H21N3O5/c1-3-4-5-6-10-16-15(20)17-13-11(14(19)23-2)8-7-9-12(13)18(21)22/h7-9H,3-6,10H2,1-2H3,(H2,16,17,20)