methyl 5-[[azanyl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]-2-nitramido-2-(phenylmethyl)pentanoate

Systemtic Name: methyl 5-[[azanyl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]-2-nitramido-2-(phenylmethyl)pentanoate Openeye Name: methyl 5-[[amino-(tert-butoxycarbonylamino)methylene]amino]-2-benzyl-2-nitramido-pentanoate CAS Name: 5-[[amino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]amino]-2-nitramido-2-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]-2-benzyl-2-nitramidopentanoate Traditional Name: 5-[[amino-(tert-butoxycarbonylamino)methylene]amino]-2-benzyl-2-nitramido-valeric acid methyl ester Formula: C19H29N5O6 MolecularWeight: 423.46346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O6/c1-18(2,3)30-17(26)22-16(20)21-12-8-11-19(15(25)29-4,23-24(27)28)13-14-9-6-5-7-10-14/h5-7,9-10,23H,8,11-13H2,1-4H3,(H3,20,21,22,26)