4-(azanyl-oxidanyl-phenylazanyl-methyl)-4-nitro-heptane-1,7-diol

Systemtic Name: 4-(azanyl-oxidanyl-phenylazanyl-methyl)-4-nitro-heptane-1,7-diol Openeye Name: 4-(amino-anilino-hydroxy-methyl)-4-nitro-heptane-1,7-diol CAS Name: 4-(amino-anilino-hydroxymethyl)-4-nitroheptane-1,7-diol IUPAC Name: 4-(amino-anilino-hydroxymethyl)-4-nitroheptane-1,7-diol Traditional Name: 4-(amino-anilino-hydroxy-methyl)-4-nitro-heptane-1,7-diol Formula: C14H23N3O5 MolecularWeight: 313.34952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O5/c15-14(20,16-12-6-2-1-3-7-12)13(17(21)22,8-4-10-18)9-5-11-19/h1-3,6-7,16,18-20H,4-5,8-11,15H2