[2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(1-tetralin-6-ylethylamino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-(1-tetralin-6-ylethylamino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H23N3O5/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)23-20(25)12-29-21(26)18-11-17(24(27)28)8-9-19(18)22/h6-11,13H,2-5,12,22H2,1H3,(H,23,25)