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2-(acridin-9-ylcarbamoyl)-6-nitro-benzoic acid

2-(acridin-9-ylcarbamoyl)-6-nitro-benzoic acid

Systemtic Name:2-(acridin-9-ylcarbamoyl)-6-nitro-benzoic acid
Openeye Name:2-(acridin-9-ylcarbamoyl)-6-nitro-benzoic acid
CAS Name:2-[(9-acridinylamino)-oxomethyl]-6-nitrobenzoic acid
IUPAC Name:2-(acridin-9-ylcarbamoyl)-6-nitrobenzoic acid
Traditional Name:2-(acridin-9-ylcarbamoyl)-6-nitro-benzoic acid
Formula: C21H13N3O5
MolecularWeight: 387.34502
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C21H13N3O5/c25-20(14-8-5-11-17(24(28)29)18(14)21(26)27)23-19-12-6-1-3-9-15(12)22-16-10-4-2-7-13(16)19/h1-11H,(H,26,27)(H,22,23,25)


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