2-[5-[[azanyl(nitramido)methylidene]amino]-2-phenylmethoxy-phenyl]propan-2-ylcarbamic acid

Systemtic Name: 2-[5-[[azanyl(nitramido)methylidene]amino]-2-phenylmethoxy-phenyl]propan-2-ylcarbamic acid Openeye Name: [1-[5-[[amino(nitramido)methylene]amino]-2-benzyloxy-phenyl]-1-methyl-ethyl]carbamic acid CAS Name: 2-[5-[[amino(nitramido)methylidene]amino]-2-phenylmethoxyphenyl]propan-2-ylcarbamic acid IUPAC Name: 2-[5-[[amino(nitramido)methylidene]amino]-2-phenylmethoxyphenyl]propan-2-ylcarbamic acid Traditional Name: [1-[5-[[amino(nitramido)methylene]amino]-2-benzoxy-phenyl]-1-methyl-ethyl]carbamic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=CC(=C1)N=C(N)N[N+](=O)[O-])OCC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

CC(C)(C1=C(C=CC(=C1)N=C(N)N[N+](=O)[O-])OCC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C18H21N5O5/c1-18(2,21-17(24)25)14-10-13(20-16(19)22-23(26)27)8-9-15(14)28-11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3,(H,24,25)(H3,19,20,22)