methyl 2-(butylcarbamoylamino)-4-nitro-benzoate

Systemtic Name: methyl 2-(butylcarbamoylamino)-4-nitro-benzoate Openeye Name: methyl 2-(butylcarbamoylamino)-4-nitro-benzoate CAS Name: 2-[[butylamino(oxo)methyl]amino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(butylcarbamoylamino)-4-nitrobenzoate Traditional Name: 2-(butylcarbamoylamino)-4-nitro-benzoic acid methyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-4-7-14-13(18)15-11-8-9(16(19)20)5-6-10(11)12(17)21-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,18)