tert-butyl 2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-(4-nitrophenyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-(4-nitrophenyl)amino]ethanoate Openeye Name: tert-butyl 2-(N-[2-(m-tolylcarbamoylamino)acetyl]-4-nitro-anilino)acetate CAS Name: 2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]-4-nitroanilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]-4-nitroanilino)acetate Traditional Name: 2-(N-[2-(m-tolylcarbamoylamino)acetyl]-4-nitro-anilino)acetic acid tert-butyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-15-6-5-7-16(12-15)24-21(29)23-13-19(27)25(14-20(28)32-22(2,3)4)17-8-10-18(11-9-17)26(30)31/h5-12H,13-14H2,1-4H3,(H2,23,24,29)