5-nitro-2-(3-phenylpropylamino)benzoate

Systemtic Name: 5-nitro-2-(3-phenylpropylamino)benzoate Openeye Name: 5-nitro-2-(3-phenylpropylamino)benzoate CAS Name: 5-nitro-2-(3-phenylpropylamino)benzoate IUPAC Name: 5-nitro-2-(3-phenylpropylamino)benzoate Traditional Name: 5-nitro-2-(3-phenylpropylamino)benzoate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)/p-1