2-[1-[2,5-bis(azanyl)phenyl]ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[1-[2,5-bis(azanyl)phenyl]ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[1-(2,5-diaminophenyl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[1-(2,5-diaminophenyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[1-(2,5-diaminophenyl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[1-(2,5-diaminophenyl)ethylamino]-5-nitro-benzoic acid Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)N)N)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)N)N)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N4O4/c1-8(11-6-9(16)2-4-13(11)17)18-14-5-3-10(19(22)23)7-12(14)15(20)21/h2-8,18H,16-17H2,1H3,(H,20,21)