methyl 2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-5-nitro-benzoate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-5-nitrobenzoate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-5-nitro-benzoic acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H21N3O5/c1-15(2,3)16-13(19)9-17(4)12-7-6-10(18(21)22)8-11(12)14(20)23-5/h6-8H,9H2,1-5H3,(H,16,19)